UCSF

ZINC66066387

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 36 Yes

Popular Name: N-(cyclopropylmethyl)-2-[6-(3-morpholinopropoxy)-4-oxo-2-(p-tolyl)quinazolin-3-yl]acetamide N-(cyclopropylmethyl)-2-[6-(3-mo…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.77 9.13 -19.9 1 8 0 86 490.604 10 ↓
Mid Mid (pH 6-8) 3.77 11.39 -54.64 2 8 1 87 491.612 10 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
V1BR-1-E Vasopressin V1b Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 1450 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
V1BR_HUMAN P47901 Vasopressin V1b Receptor, Human 1450 0.23 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
Vasopressin-like receptors

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.